Title of article
Theoretical study of adsorbed-decomposition of NO, CO and CH2O on a TiO2(1 1 0) (1×1) defect surface
Author/Authors
Li، نويسنده , , Junqian and Wu، نويسنده , , Liming and Zhang، نويسنده , , Yongfan، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2001
Pages
10
From page
249
To page
258
Abstract
Based on an ab initio method, the optimization of possible geometry structures and the calculation of the adsorbed energies, charges and populations have been carried out for the adsorbed-decomposition of NO, CO and CH2O on a TiO2(1 1 0) defect surface. The orbital interaction particulars and a promising mechanism of the adsorbed-decomposition of NO on TiO2(1 1 0) (1×1) defect surface are proposed.
Journal title
Chemical Physics Letters
Serial Year
2001
Journal title
Chemical Physics Letters
Record number
1776605
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